4-[3-azanyl-4-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-5-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[3-azanyl-4-[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-5-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[3-amino-4-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-5-yl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[3-amino-4-[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-1H-pyrazol-5-yl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[3-amino-4-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-5-yl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[3-amino-4-[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]-1H-pyrazol-5-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C21H19N5O2 MolecularWeight: 373.40786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(C(=NN3)N)C=C4C=CC=CC4=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=C(C(=NN3)N)/C=C/4\C=CC=CC4=O

InChI

InChI=1S/C21H19N5O2/c1-13-18(21(28)26(25(13)2)15-9-4-3-5-10-15)19-16(20(22)24-23-19)12-14-8-6-7-11-17(14)27/h3-12H,1-2H3,(H3,22,23,24)/b14-12+